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(E) -Cinnamyl- (Z) -p-coumarate

CAT: 0013-GTR19180246Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19180246Size:5 mg
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Description
(E) -Cinnamyl- (Z) -p-coumarate (CAS 391682-51-2) is a natural ester compound used in life science research. It is studied in vitro for its potential biological activities, including antioxidant and anti-inflammatory properties, based on its structural relation to other phenolic esters.
CAS Number
391682-51-2
Smiles
Oc1ccc (/C=C\C (OC/C=C/c2ccccc2) =O) cc1
Molecular Formula
C18H16O3
Molecular Weight
280.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(E)-Cinnamyl-(Z)-p-coumarate
CAS Number391682-51-2
PubChem CID134714917
IUPAC Name[(E)-3-phenylprop-2-enyl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular FormulaC18H16O3
Molecular Weight280.3
XLogP4.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity359
SMILES
C1=CC=C(C=C1)/C=C/COC(=O)/C=C\C2=CC=C(C=C2)O
InChI
InChI=1S/C18H16O3/c19-17-11-8-16(9-12-17)10-13-18(20)21-14-4-7-15-5-2-1-3-6-15/h1-13,19H,14H2/b7-4+,13-10-
InChIKey
JDBSEUVQZVQSCN-AHGNYBSDSA-N
Chemical Structure
2D Structure
2D structure of (E)-Cinnamyl-(Z)-p-coumarate
CAS: 391682-51-2
CID: 134714917
Formula: C18H16O3
MW: 280.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.3
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass280.109944368
Monoisotopic Mass280.109944368
Topological Polar Surface Area46.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity359
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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